Exact Mass: 152.0143

Mercaptopurine

C5H4N4S (152.0157)

Mercaptopurine is only found in individuals that have used or taken this drug. It is an antimetabolite antineoplastic agent with immunosuppressant properties. It interferes with nucleic acid synthesis by inhibiting purine metabolism and is used, usually in combination with other drugs, in the treatment of or in remission maintenance programs for leukemia. [PubChem]Mercaptopurine competes with hypoxanthine and guanine for the enzyme hypoxanthine-guanine phosphoribosyltransferase (HGPRTase) and is itself converted to thioinosinic acid (TIMP). This intracellular nucleotide inhibits several reactions involving inosinic acid (IMP), including the conversion of IMP to xanthylic acid (XMP) and the conversion of IMP to adenylic acid (AMP) via adenylosuccinate (SAMP). In addition, 6-methylthioinosinate (MTIMP) is formed by the methylation of TIMP. Both TIMP and MTIMP have been reported to inhibit glutamine-5-phosphoribosylpyrophosphate amidotransferase, the first enzyme unique to the de novo pathway for purine ribonucleotide synthesis. Experiments indicate that radiolabeled mercaptopurine may be recovered from the DNA in the form of deoxythioguanosine. Some mercaptopurine is converted to nucleotide derivatives of 6-thioguanine (6-TG) by the sequential actions of inosinate (IMP) dehydrogenase and xanthylate (XMP) aminase, converting TIMP to thioguanylic acid (TGMP). L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents

1,1,1,3,3,3-Hexafluoropropane

C3H2F6 (152.0061)

Ethylene glycol dinitrate

C2H4N2O6 (152.0069)

9-Sulfanylpurine

C5H4N4S (152.0157)

N-methylethanolamine phosphate

C3H7NO4P (152.0113)

N-methylethanolamine phosphate is soluble (in water) and an extremely strong acidic compound (based on its pKa). N-methylethanolamine phosphate can be found in a number of food items such as sour cherry, garland chrysanthemum, swiss chard, and winged bean, which makes N-methylethanolamine phosphate a potential biomarker for the consumption of these food products.

(4-chloro-phenyl)-carbamonitrile|(4-chlorophenyl)cyanamide|4-chlorophenyl cyanamide|4-chlorophenylcyanamide|4-Cl-pcyd-H|4-ClpcydH|N-(4-chlorophenyl)cyanamide

C7H5ClN2 (152.0141)

mercaptopurine

C5H4N4S (152.0157)

L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01B - Antimetabolites > L01BB - Purine analogues C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D004791 - Enzyme Inhibitors > D019384 - Nucleic Acid Synthesis Inhibitors D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents CONFIDENCE standard compound; INTERNAL_ID 2786 KEIO_ID M054

6-Mercaptopurine

C5H4N4S (152.0157)

2-Mercaptopurine

C5H4N4S (152.0157)

Furo[3,2-d]pyrimidine-2,4-diol

C6H4N2O3 (152.0222)

ppse

C3H9O3PSi (152.0059)

3-(Trifluoromethyl)-5-pyrazolone

C4H3F3N2O (152.0197)

Tisopurine

C5H4N4S (152.0157)

M - Musculo-skeletal system > M04 - Antigout preparations > M04A - Antigout preparations > M04AA - Preparations inhibiting uric acid production D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1637 - Xanthine Oxidase Inhibitor C26170 - Protective Agent > C921 - Uricosuric Agent

1,4-dichlorocyclohexane

C6H10Cl2 (152.016)

4-amino-2-mercaptopyrimidine-5-carbonitrile

C5H4N4S (152.0157)

4H-1-OXA-3,4-DIAZA-PENTALENE-5-CARBOXYLIC ACID

C6H4N2O3 (152.0222)

3-(Methylsulfonyl)propanoic acid

C4H8O4S (152.0143)

Thieno[2,3-d]pyrimidin-4(3H)-one

C6H4N2OS (152.0044)

2-Amino-6-chlorobenzonitrile

C7H5ClN2 (152.0141)

7-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)

Propane,1,1,1,2,2,3-hexafluoro-

C3H2F6 (152.0061)

7-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)

1-chlorobenzimidazole

C7H5ClN2 (152.0141)

3-(Trifluoromethyl)isoxazol-5-amine

C4H3F3N2O (152.0197)

5-Chloroimidazo[1,2-a]Pyridine

C7H5ClN2 (152.0141)

4-Chloro-1H-pyrrolo[2,3-b]pyridine

C7H5ClN2 (152.0141)

2-(Chloromethoxy)ethyl acetate

C5H9ClO3 (152.024)

6-Chloro-7-azaindole

C7H5ClN2 (152.0141)

cis-1,2-dichlorocyclohexane

C6H10Cl2 (152.016)

5-(3-THIENYL)-2H-1,2,3,4-TETRAZOLE

C5H4N4S (152.0157)

(6-Chloro-3-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)

2-Chloro-pyrazolo[1,5-a]pyridine

C7H5ClN2 (152.0141)

5-Chloro-4-azaindole

C7H5ClN2 (152.0141)

8-Mercaptopurine

C5H4N4S (152.0157)

3-Chloro-1H-indazole

C7H5ClN2 (152.0141)

5-Chloro-1H-benzimidazole

C7H5ClN2 (152.0141)

3-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)

2-(5-chloropyridin-2-yl)acetonitrile

C7H5ClN2 (152.0141)

6-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)

2-ethylsulfonylacetic acid

C4H8O4S (152.0143)

Methyl 4-chloro-3-hydroxybutanoate

C5H9ClO3 (152.024)

4-(Trifluoromethyl)-1,3-oxazol-2-amine

C4H3F3N2O (152.0197)

Thiazolo[5,4-b]pyridin-2(1H)-one

C6H4N2OS (152.0044)

Thiazolo[4,5-b]pyridin-2(3H)-one

C6H4N2OS (152.0044)

6-Chloro-1H-indazole

C7H5ClN2 (152.0141)

4-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)

Ethanethioic acid,S-(3-chloropropyl) ester

C5H9ClOS (152.0063)

Methyl (2-chloroethoxy)acetate

C5H9ClO3 (152.024)

2-ethoxyethyl carbonochloridate

C5H9ClO3 (152.024)

4-Chloro-1H-pyrrolo[3,2-c]pyridine

C7H5ClN2 (152.0141)

THIOETHANOLAMINE

C5H9ClO3 (152.024)

Oxazolo[4,5-b]pyridine-2-thiol

C6H4N2OS (152.0044)

Chloromethyl isopropyl carbonate

C5H9ClO3 (152.024)

5-Chloro-7-azaindole

C7H5ClN2 (152.0141)

3-chloro-1H-pyrrolo[3,2-b]pyridine

C7H5ClN2 (152.0141)

3-Methylphosphinicopropionic Acid

C4H9O4P (152.0238)

5-(trifluoromethyl)-1,3-oxazol-2-amine

C4H3F3N2O (152.0197)

Methyl Methanesulfonylacetate

C4H8O4S (152.0143)

5-Chloroindazole

C7H5ClN2 (152.0141)

3-Chloro-7-azaindole

C7H5ClN2 (152.0141)

tetramethylene phosphate

C4H9O4P (152.0238)

2-Chloro-6-methylnicotinonitrile

C7H5ClN2 (152.0141)

6-(Chloromethyl)nicotinonitrile

C7H5ClN2 (152.0141)

2-(2-chloropyridin-4-yl)acetonitrile

C7H5ClN2 (152.0141)

5-NITRONICOTINALDEHYDE

C6H4N2O3 (152.0222)

Imidazo[2,1-b][1,3]thiazole-2-carbaldehyde

C6H4N2OS (152.0044)

2H-Tetrazole,5-(2-thienyl)-

C5H4N4S (152.0157)

7-Chloro-4-azaindole

C7H5ClN2 (152.0141)

2-Chloro-5-methylnicotinonitrile

C7H5ClN2 (152.0141)

Acetic acid, 2-chloro-,2-methoxyethyl ester

C5H9ClO3 (152.024)

thieno[3,2-d]pyrimidin-4-ol

C6H4N2OS (152.0044)

4-chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)

(2-Chloro-3-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)

Oxazolo[4,5-b]pyridine-2(3H)-thione

C6H4N2OS (152.0044)

6-CHLORO-4-METHYLNICOTINONITRILE

C7H5ClN2 (152.0141)

3-Amino-4-chlorobenzonitrile

C7H5ClN2 (152.0141)

3-(chloromethyl)pyridine-2-carbonitrile

C7H5ClN2 (152.0141)

5-(Trifluoromethyl)-1,2-oxazol-3-amine

C4H3F3N2O (152.0197)

4-(chloromethyl)pyridine-2-carbonitrile

C7H5ClN2 (152.0141)

3-Amino-5-chlorobenzonitrile

C7H5ClN2 (152.0141)

Thiazolo[4,5-d]pyrimidine,2-amino- (5CI)

C5H4N4S (152.0157)

Thiazolo[4,5-c]pyridin-2-ol (5CI)

C6H4N2OS (152.0044)

3-CHLOROIMIDAZO[1,2-A]PYRIDINE

C7H5ClN2 (152.0141)

trans-1,2-Dichlorocyclohexane

C6H10Cl2 (152.016)

6-Chloro-1H-pyrrolo[3,2-b]pyridine

C7H5ClN2 (152.0141)

[1,3]Thiazolo[5,4-d]pyrimidin-2-amine

C5H4N4S (152.0157)

2-Chloro-5-cyano-3-picoline

C7H5ClN2 (152.0141)

3-nitropyridine-2-carbaldehyde

C6H4N2O3 (152.0222)

IMIDAZO[2,1-B]THIAZOLE-6-CARBALDEHYDE

C6H4N2OS (152.0044)

6-chloro-2-methylnicotinonitrile

C7H5ClN2 (152.0141)

Isothiazolo[4,5-b]pyrazin-3-amine

C5H4N4S (152.0157)

7-Chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)

2-Chloro-4-methylpyridine-3-carbonitrile

C7H5ClN2 (152.0141)

1-Chloropyrrolo[1,2-a]pyrazine

C7H5ClN2 (152.0141)

4-(chloromethyl)pyridine-3-carbonitrile

C7H5ClN2 (152.0141)

7-chloro-1H-indazole

C7H5ClN2 (152.0141)

2-Chlorobenzimidazole

C7H5ClN2 (152.0141)

5-Chloro-3-ethynylpyridin-2-amine

C7H5ClN2 (152.0141)

5-Fluoro-1-benzothiophene

C8H5FS (152.0096)

6-Chloro-3-Methylpicolinonitrile

C7H5ClN2 (152.0141)

6-CHLORO-5-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)

1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-2-THIOL

C5H4N4S (152.0157)

3-CHLORO-6-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)

(3-Chloro-4-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)

4-Amino-3-chlorobenzonitrile

C7H5ClN2 (152.0141)

2-Amino-5-chlorobenzonitrile

C7H5ClN2 (152.0141)

6-CHLORO-4-METHYLPICOLINONITRILE

C7H5ClN2 (152.0141)

7-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)

8-Chloroimidazo[1,2-a]pyridine

C7H5ClN2 (152.0141)

3-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)

1-Chloroethyl ethyl carbonate

C5H9ClO3 (152.024)

6-(Chloromethyl)-2-cyanopyridine

C7H5ClN2 (152.0141)

5-Chloro-1H-pyrrolo[2,3-c]pyridine

C7H5ClN2 (152.0141)

6-Chloro-5-Azaindole

C7H5ClN2 (152.0141)

1,1,2,2,3,3-hexafluoropropane

C3H2F6 (152.0061)

6-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)

s-sec-butyl chlorothioformate

C5H9ClOS (152.0063)

S-butyl chloromethanethioate

C5H9ClOS (152.0063)

3-Nitroisonicotinaldehyde

C6H4N2O3 (152.0222)

Thiazolo[5,4-d]pyrimidin-7-amine

C5H4N4S (152.0157)

4-Chloro-1H-indazole

C7H5ClN2 (152.0141)

(R)-4-Chloro-3-hydroxybutyric acid methyl ester

C5H9ClO3 (152.024)

4-chloro-6-methylnicotinonitrile

C7H5ClN2 (152.0141)

trans-1,4-dichlorocyclohexane

C6H10Cl2 (152.016)

2-Amino-4-Chlorobenzonitrile

C7H5ClN2 (152.0141)

1,1,1,2,3,3-hexafluoropropane

C3H2F6 (152.0061)

s-tert-butyl chlorothioformate

C5H9ClOS (152.0063)

S-(2-methylpropyl) chloromethanethioate

C5H9ClOS (152.0063)

5-(Trifluoromethyl)furan-2(5H)-one

C5H3F3O2 (152.0085)

[1,3]Thiazolo[4,5-c]pyridin-4(5H)-one

C6H4N2OS (152.0044)

4-Chloro-2-cyano-6-methylpyrimidine

C7H5ClN2 (152.0141)

4-Nitropicolinaldehyde

C6H4N2O3 (152.0222)

5-(2-FURYL)-1,3,4-OXADIAZOL-2(3H)-ONE

C6H4N2O3 (152.0222)

2-(2-METHOXYETHOXY)ACETYL CHLORIDE

C5H9ClO3 (152.024)

2-(Chloromethyl)nicotinonitrile

C7H5ClN2 (152.0141)

5-Nitropicolinaldehyde

C6H4N2O3 (152.0222)

5-Amino-2-chlorobenzonitrile

C7H5ClN2 (152.0141)

(6-Chloro-2-pyridinyl)acetonitrile

C7H5ClN2 (152.0141)

2-Amino-3-chlorobenzonitrile

C7H5ClN2 (152.0141)

S-Methyl 4-chloro-3-hydroxybutyrate

C5H9ClO3 (152.024)

3-(Trifluoromethyl)-1H-pyrazol-5(4H)-one

C4H3F3N2O (152.0197)

4-FLUOROBENZO[B]THIOPHENE

C8H5FS (152.0096)

5-chloro-2-ethynylpyridin-3-amine

C7H5ClN2 (152.0141)

2-N-acetamidomethylphosphonate

C3H7NO4P- (152.0113)

1-Butyl phosphate

C4H9O4P-2 (152.0238)

Dithiobis(diaminomethylium)

C2H8N4S2+2 (152.019)

5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid

C7H4O4 (152.011)

{"Ingredient_id": "HBIN011151","Ingredient_name": "5,6-dioxocyclohexa-1,3-diene-1-carboxylic acid","Alias": "5,6-diketocyclohexa-1,3-diene-1-carboxylic acid; 5,6-dioxo-1-cyclohexa-1,3-dienecarboxylic acid","Ingredient_formula": "C7H4O4","Ingredient_Smile": "C1=CC(=O)C(=O)C(=C1)C(=O)O","Ingredient_weight": "152.1 g/mol","OB_score": "72.72437541","CAS_id": "NA","SymMap_id": "SMIT12256","TCMID_id": "NA","TCMSP_id": "MOL011336","TCM_ID_id": "NA","PubChem_id": "20154716","DrugBank_id": "NA"}

2-hydroxy-2-methyl-1,2λ⁶-oxathiolane-2,5-dione

C4H8O4S (152.0143)